기본 정보
- CAS
360-03-2- 표준 SMILES
O=C(O)C(F)(F)c1ccccc1- InChIKey
PFKSLFZFBCIJOI-UHFFFAOYSA-N- 분자식
- C8H6F2O2
- 평균 분자량
- 172.13 g/mol
이름 및 식별자
- 우선 이름
- 2,2-Difluoro-2-phenylacetic acid
- IUPAC
- 2,2-difluoro-2-phenylacetic acid
- 영어명
- α,α-Difluorophenylacetic acid
- 분자식
- C8H6F2O2
- 분자량
- 172.13
이름 및 동의어
2,2-difluoro-2-phenylacetic acidRefChem:441050623-610-4360-03-2difluoro(phenyl)acetic acidalpha,alpha-difluorophenylacetic acidA,A-Difluorophenylacetic acidMFCD00498146alpha,alpha-difluorobenzeneacetic acidBenzeneacetic acid, a,a-difluoro-2,2-difluoro-2-phenyl-acetic acidMaybridge1_002109
이름 더 보기
Difluorophenylacetic aci2,3-DIFLUUOROPHENYL ACETICα,α-Difluorophenylaceticaciα,α-Difluorophenylacetic acidα,α-Difluorobenzeneacetic acid2,3-DIFLUUOROPHENYL ACETIC ACIDBenzeneacetic acid, α,α-difluoro
,-Difluorobenzeneacetic acid|A,|A-Difluorophenylacetic acid2,2-Difluoro-2-phenylacetic acid; Difluorophenylacetic acid; alpha,alpha-Difluorophenylacetic acidalpha,alpha-Difluorobenzeneacetic Acid; Difluorophenylacetic Acid; alpha,alpha-Difluorophenylacetic AcidPhCF2CO2Hdifluorophenylacetic acidSCHEMBL354556SCHEMBL5499230
데이터베이스 식별자
- CAS
360-03-2- PubChem CID
- 726153
- EC Number
- 623-610-4
- Nikkaji
- J2.455.654I
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 174
물리화학적 성질
- 녹는점
- 65 · 65-75 °C
- 끓는 점
- 0 °C · 0°C
- 밀도
- 1.338 · 1.338±0.06 g/cm3(Predicted)
- 인화점
- 0 °C · 0°C
- 저장 조건
- Refrigerator, Under inert atmosphere
- 용해도
- 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 1.04 · 1.04±0.10(Predicted)
- 색상
- 흰색에서 연한 노란색
- InChI
- 1S/C8H6F2O2/c9-8(10,7(11)12)6-4-2-1-3-5-6/h1-5H,(H,11,12)
- InChIKey
- PFKSLFZFBCIJOI-UHFFFAOYSA-N
- SMILES
- OC(=O)C(F)(F)c1ccccc1
화학적 성질
white to light yellow crystal powde
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H314 (13%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Corr. 1B (13%)
안전 데이터
- wgk
- 3
- ridadr
- UN3261
- HS 번호
- 2916399090
- risk_code
- 36/37/38
- hazard_code
- C,Xi,Xn
- safety_code
- 26-36-36/37-36/37/39
- 포장분류
- III
- 위험 등급
- 8
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요α,α-Difluorophenylacetic acid is a phenylacetic acid with two fluorides on the benzylic carbon. The inductive effect of the difluoromethyl group increases the acidity of α,α-difluorophenylacetic acid. α,α-difluorophenylacetic acid and 2-arylbenzoimidazoles could be used as reaction substrates to synthesise difluoroarymethyl-substituted benzimidazo[2,1-a]isoquinolin-6(5H)-ones through radical cascade cyclization[1].
상·하류 제품 정보
하류 제품
공급사100 곳
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海策嵘生物科技有限公司[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
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